3-butyl-2-phenyl-4-prop-2-enyl-2,5-dihydrofuran

C17H22O — CID 11207248

IUPAC3-butyl-2-phenyl-4-prop-2-enyl-2,5-dihydrofuran
SMILESC=CCC1=C(CCCC)C(c2ccccc2)OC1
InChIInChI=1S/C17H22O/c1-3-5-12-16-15(9-4-2)13-18-17(16)14-10-7-6-8-11-14/h4,6-8,10-11,17H,2-3,5,9,12-13H2,1H3
InChIKeyLXXFHGDYJLCWGB-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.82
Rot. Bonds6

About 3-butyl-2-phenyl-4-prop-2-enyl-2,5-dihydrofuran

3-butyl-2-phenyl-4-prop-2-enyl-2,5-dihydrofuran (PubChem CID 11207248) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-butyl-2-phenyl-4-prop-2-enyl-2,5-dihydrofuran.

Molecular Properties

Compound Name3-butyl-2-phenyl-4-prop-2-enyl-2,5-dihydrofuran
PubChem CID11207248
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name3-butyl-2-phenyl-4-prop-2-enyl-2,5-dihydrofuran
SMILESC=CCC1=C(CCCC)C(c2ccccc2)OC1
InChIInChI=1S/C17H22O/c1-3-5-12-16-15(9-4-2)13-18-17(16)14-10-7-6-8-11-14/h4,6-8,10-11,17H,2-3,5,9,12-13H2,1H3
InChIKeyLXXFHGDYJLCWGB-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-3-prop-2-enyl-4-propyl-2H-furan-5-one
CID 10922728
1-butyl-2-prop-2-enylbenzene
CID 18786435
(2S,3E,4R)-4-ethenyl-2-phenyl-3-(1-phenylpentylidene)oxolane
CID 11267136
pentane;prop-2-enylbenzene
CID 90884247
[(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene
CID 101032196
3-butyl-4-prop-2-enyl-1H-isochromene
CID 139261835
1-butyl-3-prop-2-enylbenzene
CID 140596641
3-(3-ethylpenta-1,2-dienyl)-2-phenyl-4-prop-2-enyl-2H-furan-5-one
CID 102181929
5-(4-butylphenyl)-2-phenyl-1,3-dioxane
CID 141451860
2-phenyl-3-prop-2-enyl-2H-furan-5-one
CID 102338202
1-prop-2-enyl-2-propylbenzene
CID 12585186
2-butyl-1-methyl-3-prop-2-enylbenzene
CID 173148760

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-phenyl-4-prop-2-enyl-2,5-dihydrofuran?
The IUPAC name of 3-butyl-2-phenyl-4-prop-2-enyl-2,5-dihydrofuran (CID 11207248) is 3-butyl-2-phenyl-4-prop-2-enyl-2,5-dihydrofuran.
What is the SMILES notation for 3-butyl-2-phenyl-4-prop-2-enyl-2,5-dihydrofuran?
The canonical SMILES for 3-butyl-2-phenyl-4-prop-2-enyl-2,5-dihydrofuran is C=CCC1=C(CCCC)C(c2ccccc2)OC1.
What is the InChIKey of 3-butyl-2-phenyl-4-prop-2-enyl-2,5-dihydrofuran?
The InChIKey is LXXFHGDYJLCWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-3-5-12-16-15(9-4-2)13-18-17(16)14-10-7-6-8-11-14/h4,6-8,10-11,17H,2-3,5,9,12-13H2,1H3.
What are the key properties of 3-butyl-2-phenyl-4-prop-2-enyl-2,5-dihydrofuran?
3-butyl-2-phenyl-4-prop-2-enyl-2,5-dihydrofuran has a molecular weight of 242.36 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-phenyl-4-prop-2-enyl-2,5-dihydrofuran is sourced from PubChem (CID 11207248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).